N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(2-nitrophenoxy)acetamide Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H26N6O4S/c1-3-4-7-18-10-12-19(13-11-18)31-29-21-14-17(2)20(15-22(21)30-31)27-26(37)28-25(33)16-36-24-9-6-5-8-23(24)32(34)35/h5-6,8-15H,3-4,7,16H2,1-2H3,(H2,27,28,33,37)